[4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea

C16H13Cl2N5O2 — CID 133333989

IUPAC[4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(CNc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1
InChIInChI=1S/C16H13Cl2N5O2/c17-11-5-10(6-12(18)7-11)14-22-16(25-23-14)20-8-9-1-3-13(4-2-9)21-15(19)24/h1-7H,8H2,(H3,19,21,24)(H,20,22,23)
InChIKeyBMZNQMNJWQTMAT-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.15
Rot. Bonds5

About [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea

[4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea (PubChem CID 133333989) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea
PubChem CID133333989
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name[4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(CNc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1
InChIInChI=1S/C16H13Cl2N5O2/c17-11-5-10(6-12(18)7-11)14-22-16(25-23-14)20-8-9-1-3-13(4-2-9)21-15(19)24/h1-7H,8H2,(H3,19,21,24)(H,20,22,23)
InChIKeyBMZNQMNJWQTMAT-UHFFFAOYSA-N
XLogP4.15
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea with MolForge

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Related Compounds

methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 14675819
N-(cyclopropylmethyl)-2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]acetamide
CID 133441833
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]urea
CID 86917015
3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342168
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
[4-(benzylamino)phenyl]urea
CID 43744943
3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133380047
2-[4-[(3,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 60790039

Frequently Asked Questions

What is the IUPAC name of [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea?
The IUPAC name of [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea (CID 133333989) is [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea.
What is the SMILES notation for [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea?
The canonical SMILES for [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea is NC(=O)Nc1ccc(CNc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1.
What is the InChIKey of [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea?
The InChIKey is BMZNQMNJWQTMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c17-11-5-10(6-12(18)7-11)14-22-16(25-23-14)20-8-9-1-3-13(4-2-9)21-15(19)24/h1-7H,8H2,(H3,19,21,24)(H,20,22,23).
What are the key properties of [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea?
[4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea has a molecular weight of 378.22 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]urea is sourced from PubChem (CID 133333989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).